General Information of the Compound
| Compound ID |
CP0395732
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| Compound Name |
6,7-dimethoxy-2-N,4-N-bis(3-nitrophenyl)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C22H18N6O6
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| Molecular Weight |
462.422
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| Canonical SMILES |
COc1cc2nc(Nc3cccc(c3)[N+]([O-])=O)nc(Nc3cccc(c3)[N+]([O-])=O)c2cc1OC
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| InChI |
InChI=1S/C22H18N6O6/c1-33-19-11-17-18(12-20(19)34-2)25-22(24-14-6-4-8-16(10-14)28(31)32)26-21(17)23-13-5-3-7-15(9-13)27(29)30/h3-12H,1-2H3,(H2,23,24,25,26)
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| InChIKey |
RDSLRMHRPRDADA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound